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MTC 智能计算中心MTC Computing Center AI × 蛋白质与酶工程AI for Protein & Enzyme Engineering

化合物信息

名称 内容
kegg编号 C15454
pubchemid 17396451
name Hexestrol monomethyl ether
formula C19H24O2
structure
Isomeric_Smiles C1CCC(CC1)(CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)N4CCCCC4
Cannoical_Smiles C1CCC(CC1)(CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)N4CCCCC4
Gotenzyme_Smiles CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(OC)cc1